methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O7S2/c1-28-18(24)8-9-23-13-7-6-12(32(21,26)27)10-17(13)31-20(23)22-19(25)16-11-29-14-4-2-3-5-15(14)30-16/h2-7,10,16H,8-9,11H2,1H3,(H2,21,26,27)